18-methylnonadec-9-enyl dihydrogen phosphate

C20H41O4P — CID 154250531

IUPAC18-methylnonadec-9-enyl dihydrogen phosphate
SMILESCC(C)CCCCCCCC=CCCCCCCCCOP(=O)(O)O
InChIInChI=1S/C20H41O4P/c1-20(2)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-24-25(21,22)23/h3-4,20H,5-19H2,1-2H3,(H2,21,22,23)
InChIKeyZIBISRIUMHVUEV-UHFFFAOYSA-N
MW376.52 g/mol
LogP6.77
Rot. Bonds18

About 18-methylnonadec-9-enyl dihydrogen phosphate

18-methylnonadec-9-enyl dihydrogen phosphate (PubChem CID 154250531) has the molecular formula C20H41O4P and a molecular weight of 376.52 g/mol. Its IUPAC name is 18-methylnonadec-9-enyl dihydrogen phosphate.

Molecular Properties

Compound Name18-methylnonadec-9-enyl dihydrogen phosphate
PubChem CID154250531
Molecular FormulaC20H41O4P
Molecular Weight376.52 g/mol
Exact Mass376.27
IUPAC Name18-methylnonadec-9-enyl dihydrogen phosphate
SMILESCC(C)CCCCCCCC=CCCCCCCCCOP(=O)(O)O
InChIInChI=1S/C20H41O4P/c1-20(2)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-24-25(21,22)23/h3-4,20H,5-19H2,1-2H3,(H2,21,22,23)
InChIKeyZIBISRIUMHVUEV-UHFFFAOYSA-N
XLogP6.77
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.52
LogP ≤ 56.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Dolichyl diphosphate
CID 24892721
Dioleyl Phosphate
CID 6436414
Trioleyl Phosphate
CID 6436723
Dolichyl-4 phosphate
CID 24892715
Phosphoric acid mono-((E)-tetradec-9-enyl) ester
CID 11197104
Phosphoric acid mono-((E)-dodec-9-enyl) ester
CID 11219269
Phosphoric acid mono-((E)-tetradec-11-enyl) ester
CID 11312382
Disodium Oleyl Phosphate
CID 87093817
9-octadecen-1-ol, (9z)-, phosphate, potassium salt
CID 6453761
Phosphoric Acid Oleyl Ester
CID 6437191
Oleyl ether phosphate (acid)
CID 6436357
9-Octadecen-1-ol, 1,1'-(hydrogen phosphate)
CID 6437965

Frequently Asked Questions

What is the IUPAC name of 18-methylnonadec-9-enyl dihydrogen phosphate?
The IUPAC name of 18-methylnonadec-9-enyl dihydrogen phosphate (CID 154250531) is 18-methylnonadec-9-enyl dihydrogen phosphate.
What is the SMILES notation for 18-methylnonadec-9-enyl dihydrogen phosphate?
The canonical SMILES for 18-methylnonadec-9-enyl dihydrogen phosphate is CC(C)CCCCCCCC=CCCCCCCCCOP(=O)(O)O.
What is the InChIKey of 18-methylnonadec-9-enyl dihydrogen phosphate?
The InChIKey is ZIBISRIUMHVUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41O4P/c1-20(2)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-24-25(21,22)23/h3-4,20H,5-19H2,1-2H3,(H2,21,22,23).
What are the key properties of 18-methylnonadec-9-enyl dihydrogen phosphate?
18-methylnonadec-9-enyl dihydrogen phosphate has a molecular weight of 376.52 g/mol, XLogP of 6.77, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 18-methylnonadec-9-enyl dihydrogen phosphate is sourced from PubChem (CID 154250531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).